3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine

C14H15N3 — CID 168995048

IUPAC3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(c2c[nH]c3ncccc23)C2CCC(C1)N2
InChIInChI=1S/C14H15N3/c1-2-11-12(8-16-14(11)15-7-1)10-5-3-9-4-6-13(10)17-9/h1-2,5,7-9,13,17H,3-4,6H2,(H,15,16)
InChIKeyAOOAYXIDCHCUBY-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.47
Rot. Bonds1

About 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine

3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 168995048) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID168995048
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(c2c[nH]c3ncccc23)C2CCC(C1)N2
InChIInChI=1S/C14H15N3/c1-2-11-12(8-16-14(11)15-7-1)10-5-3-9-4-6-13(10)17-9/h1-2,5,7-9,13,17H,3-4,6H2,(H,15,16)
InChIKeyAOOAYXIDCHCUBY-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine
CID 171510299
3-(azetidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 55293524
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170328773
3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 152961417
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
CID 163936836
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
tert-butyl N-[(1R)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohex-3-en-1-yl]carbamate
CID 99645986
3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 168995104

Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 168995048) is 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine is C1=C(c2c[nH]c3ncccc23)C2CCC(C1)N2.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AOOAYXIDCHCUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-11-12(8-16-14(11)15-7-1)10-5-3-9-4-6-13(10)17-9/h1-2,5,7-9,13,17H,3-4,6H2,(H,15,16).
What are the key properties of 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 225.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168995048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).